1-(1-methylpyrrolidin-2-yl)-3-(pyrrolidin-2-ylmethyl)urea

C11H22N4O — CID 117234833

IUPAC1-(1-methylpyrrolidin-2-yl)-3-(pyrrolidin-2-ylmethyl)urea
SMILESCN1CCCC1NC(=O)NCC1CCCN1
InChIInChI=1S/C11H22N4O/c1-15-7-3-5-10(15)14-11(16)13-8-9-4-2-6-12-9/h9-10,12H,2-8H2,1H3,(H2,13,14,16)
InChIKeyAKICATQNMUVDMU-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.09
Rot. Bonds3

About 1-(1-methylpyrrolidin-2-yl)-3-(pyrrolidin-2-ylmethyl)urea

1-(1-methylpyrrolidin-2-yl)-3-(pyrrolidin-2-ylmethyl)urea (PubChem CID 117234833) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-2-yl)-3-(pyrrolidin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-2-yl)-3-(pyrrolidin-2-ylmethyl)urea
PubChem CID117234833
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name1-(1-methylpyrrolidin-2-yl)-3-(pyrrolidin-2-ylmethyl)urea
SMILESCN1CCCC1NC(=O)NCC1CCCN1
InChIInChI=1S/C11H22N4O/c1-15-7-3-5-10(15)14-11(16)13-8-9-4-2-6-12-9/h9-10,12H,2-8H2,1H3,(H2,13,14,16)
InChIKeyAKICATQNMUVDMU-UHFFFAOYSA-N
XLogP0.09
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpyrrolidin-2-yl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117234848
1-(1-methylpiperidin-2-yl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117234938
1-cyclopropyl-3-(piperidin-2-ylmethyl)urea
CID 62700229
1-(2-piperidin-1-ylethyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117235868
1-butyl-3-(pyrrolidin-2-ylmethyl)urea
CID 62540044
1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(piperidin-2-ylmethyl)urea
CID 117235828
N-(pyrrolidin-2-ylmethyl)azepane-1-carboxamide
CID 79152562
2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 62542506
1-(pyrrolidin-2-ylmethyl)-3-(thian-4-ylmethyl)urea
CID 117234673
1-(3-hydroxypropyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117234373
1-tert-butyl-3-(piperidin-2-ylmethyl)urea
CID 43210550
1-(1,1-dioxothian-3-yl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117234755

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-2-yl)-3-(pyrrolidin-2-ylmethyl)urea?
The IUPAC name of 1-(1-methylpyrrolidin-2-yl)-3-(pyrrolidin-2-ylmethyl)urea (CID 117234833) is 1-(1-methylpyrrolidin-2-yl)-3-(pyrrolidin-2-ylmethyl)urea.
What is the SMILES notation for 1-(1-methylpyrrolidin-2-yl)-3-(pyrrolidin-2-ylmethyl)urea?
The canonical SMILES for 1-(1-methylpyrrolidin-2-yl)-3-(pyrrolidin-2-ylmethyl)urea is CN1CCCC1NC(=O)NCC1CCCN1.
What is the InChIKey of 1-(1-methylpyrrolidin-2-yl)-3-(pyrrolidin-2-ylmethyl)urea?
The InChIKey is AKICATQNMUVDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-15-7-3-5-10(15)14-11(16)13-8-9-4-2-6-12-9/h9-10,12H,2-8H2,1H3,(H2,13,14,16).
What are the key properties of 1-(1-methylpyrrolidin-2-yl)-3-(pyrrolidin-2-ylmethyl)urea?
1-(1-methylpyrrolidin-2-yl)-3-(pyrrolidin-2-ylmethyl)urea has a molecular weight of 226.32 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-2-yl)-3-(pyrrolidin-2-ylmethyl)urea is sourced from PubChem (CID 117234833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).